2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide

C24H22Cl2N2O3S — CID 126130888

IUPAC2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(/C=N\NC(=O)CSCc2c(Cl)cccc2Cl)ccc1OCc1ccccc1
InChIInChI=1S/C24H22Cl2N2O3S/c1-30-23-12-18(10-11-22(23)31-14-17-6-3-2-4-7-17)13-27-28-24(29)16-32-15-19-20(25)8-5-9-21(19)26/h2-13H,14-16H2,1H3,(H,28,29)/b27-13-
InChIKeyBQTDZXMAVSVQIX-WKIKZPBSSA-N
MW489.42 g/mol
LogP5.96
Rot. Bonds10

About 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide

2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide (PubChem CID 126130888) has the molecular formula C24H22Cl2N2O3S and a molecular weight of 489.42 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
PubChem CID126130888
Molecular FormulaC24H22Cl2N2O3S
Molecular Weight489.42 g/mol
Exact Mass488.07
IUPAC Name2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(/C=N\NC(=O)CSCc2c(Cl)cccc2Cl)ccc1OCc1ccccc1
InChIInChI=1S/C24H22Cl2N2O3S/c1-30-23-12-18(10-11-22(23)31-14-17-6-3-2-4-7-17)13-27-28-24(29)16-32-15-19-20(25)8-5-9-21(19)26/h2-13H,14-16H2,1H3,(H,28,29)/b27-13-
InChIKeyBQTDZXMAVSVQIX-WKIKZPBSSA-N
XLogP5.96
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.42
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide
CID 126144617
N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide
CID 126125307
N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(4-methylphenyl)sulfanylacetamide
CID 6876830
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide
CID 126120947
N-[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 110507173
2-(4-chlorophenoxy)-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6023296
2-(4-benzylpiperazin-1-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3846849
N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 3627606
2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3959802
N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-phenylacetamide
CID 3561561
2-(2-chlorophenoxy)-N-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19190146
N-(3-chloro-4-methylphenyl)-N'-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 5159949

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide (CID 126130888) is 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide is COc1cc(/C=N\NC(=O)CSCc2c(Cl)cccc2Cl)ccc1OCc1ccccc1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide?
The InChIKey is BQTDZXMAVSVQIX-WKIKZPBSSA-N. The full InChI is InChI=1S/C24H22Cl2N2O3S/c1-30-23-12-18(10-11-22(23)31-14-17-6-3-2-4-7-17)13-27-28-24(29)16-32-15-19-20(25)8-5-9-21(19)26/h2-13H,14-16H2,1H3,(H,28,29)/b27-13-.
What are the key properties of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide?
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide has a molecular weight of 489.42 g/mol, XLogP of 5.96, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 126130888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).